Feature Table

The features table is an additional file StructMAn produces. It is a tab-separated table file. Each row represents the computed results around one amino acid position of one queried protein. Compared to the classification table it contains more specific results and values. The results listed in this table can be used to assist machine learning methods that focus on amino acids or point mutations. It can list results specific for queried amino acid positions as well as for queried point mutations. In the following, all its columns are explained:

Name	Description
Protein (Uniprot-Ac or PDB-Id:Chain-Id)	The ID of the queried protein that contains the corresponding position.
WT Amino Acid	The one-letter amino acid type of the wildtype version of the query.
Position	The position of the queried mutation in the sequence of the query.
Mut Amino Acid	The one-letter amino acid type of the mutated version of the query.
AA change	A combination of WT Amino Acid, Position and Mut Amino Acid.
Tags	The tags given in by the input of the query. When doing supervised machine learning this can be used to add the target value.
Distance-based classification	The classification based on euclidean distance calculations.
Distance-based simple classification	A simplified version of the distance-based classification.
RIN-based classification
RIN-based simple classification
Classification confidence
Structure location
Amount of mapped structures
Secondary structure assignment
IUPred value
Region structure type
Modres score
Modres probability
Phi
Psi
KD mean
Volume mean
Chemical distance
Blosum62
Aliphatic change
Hydrophobic change
Aromatic change
Positive charged change
Polar change
Negative charge change
Charged change
Small change
Tiny change
Total change
B Factor
AbsoluteCentrality
LengthNormalizedCentrality
MinMaxNormalizedCentrality
AbsoluteCentralityWithNegative
LengthNormalizedCentralityWithNegative
MinMaxNormalizedCentralityWithNegative
AbsoluteComplexCentrality
LengthNormalizedComplexCentrality
MinMaxNormalizedComplexCentrality
AbsoluteComplexCentralityWithNegative
LengthNormalizedComplexCentralityWithNegative
MinMaxNormalizedComplexCentralityWithNegative
Intra_SSBOND_Propensity
Inter_SSBOND_Propensity
Intra_Link_Propensity
Inter_Link_Propensity
CIS_Conformation_Propensity
CIS_Follower_Propensity
Inter Chain Median KD
Inter Chain Distance Weighted KD
Inter Chain Median RSA
Inter Chain Distance Weighted RSA
Intra Chain Median KD
Intra Chain Distance Weighted KD
Intra Chain Median RSA
Intra Chain Distance Weighted RSA
[neighbor, short, long, ligand, ion, metal, Protein, DNA, RNA, Peptide] score
[neighbor, short, long, ligand, ion, metal, Protein, DNA, RNA, Peptide] degree
[neighbor, short, long, ligand, ion, metal, Protein, DNA, RNA, Peptide] H-bond score